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Showing results

Implementation of Forward Laplacian algorithm in JAX

Python 55 11 Updated Nov 4, 2024

For advanced physics-driven combined with neural network enhancement force field.

Python 8 1 Updated Aug 15, 2024

Tensors and Dynamic neural networks in Python with strong GPU acceleration

Python 83,984 22,640 Updated Nov 16, 2024

Quantum chemistry and solid state physics software package

Fortran 854 388 Updated Nov 15, 2024

i-PI: a universal force engine

Python 234 117 Updated Nov 15, 2024

Deep learning quantum Monte Carlo for electrons in real space

Python 358 61 Updated Oct 23, 2024

Pytorch implementation of KFAC - this is a port of https://github.com/tensorflow/kfac/

Python 18 5 Updated Jun 6, 2024

Public development project of the LAMMPS MD software package

C++ 2,238 1,719 Updated Nov 16, 2024
HTML 22 1 Updated Apr 16, 2022

add the influence of external field to REANN model

Python 23 4 Updated Sep 20, 2024

Yaolong Zhang's great work

Python 2 Updated Oct 27, 2022

Self-describing sparse tensor data format for atomistic machine learning and beyond

Python 53 19 Updated Nov 14, 2024

“连续八年成为全世界最受喜爱的语言,无 GC 也无需手动内存管理、极高的性能和安全性、过程/OO/函数式编程、优秀的包管理、JS 未来基石" — 工作之余的第二语言来试试 Rust 吧。本书拥有全面且深入的讲解、生动贴切的示例、德芙般丝滑的内容,这可能是目前最用心的 Rust 中文学习教程 / Book

Rust 25,745 2,226 Updated Oct 21, 2024

Generating Deep Potential with Python

Python 60 9 Updated Nov 16, 2024

百度网盘不限速客户端, golang + qt5, 跨平台图形界面

Go 1 Updated Feb 26, 2022
Python 54 17 Updated Apr 28, 2024

Curve fitting comparison between Adam and L-BFGS optimizer

Python 1 Updated Dec 29, 2021

Fast and flexible nonadiabatic molecular dynamics in Julia!

Julia 57 5 Updated Nov 5, 2024

2024中国翻墙软件VPN推荐以及科学上网避坑,稳定好用。对比SSR机场、蓝灯、V2ray、老王VPN、VPS搭建梯子等科学上网与翻墙软件,中国最新科学上网翻墙梯子VPN下载推荐,访问Chatgpt。

HTML 16,071 1,479 Updated Nov 14, 2024
Python 17 5 Updated Nov 29, 2021

MindSpore is a new open source deep learning training/inference framework that could be used for mobile, edge and cloud scenarios.

C++ 4,308 709 Updated Jul 29, 2024

A proxy tool to bypass GFW.

Python 33,061 7,688 Updated Jun 11, 2024

Genetic Algorithm, Particle Swarm Optimization, Simulated Annealing, Ant Colony Optimization Algorithm,Immune Algorithm, Artificial Fish Swarm Algorithm, Differential Evolution and TSP(Traveling sa…

Python 1 Updated Feb 2, 2021

A research toolkit for particle swarm optimization in Python

Python 1,283 332 Updated Aug 6, 2024

Genetic Algorithm, Particle Swarm Optimization, Simulated Annealing, Ant Colony Optimization Algorithm,Immune Algorithm, Artificial Fish Swarm Algorithm, Differential Evolution and TSP(Traveling sa…

Python 5,283 989 Updated Jun 23, 2024

PArallel Distributed Deep LEarning: Machine Learning Framework from Industrial Practice (『飞桨』核心框架,深度学习&机器学习高性能单机、分布式训练和跨平台部署)

C++ 22,260 5,595 Updated Nov 16, 2024